1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide

C18H21N3O2 — CID 75520521

IUPAC1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCCOc1cccc(CN2CCC(C(N)=O)c3ccccc32)n1
InChIInChI=1S/C18H21N3O2/c1-2-23-17-9-5-6-13(20-17)12-21-11-10-15(18(19)22)14-7-3-4-8-16(14)21/h3-9,15H,2,10-12H2,1H3,(H2,19,22)
InChIKeyXNJZKUQUJZLYGG-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.46
Rot. Bonds5

About 1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide

1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide (PubChem CID 75520521) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide.

Molecular Properties

Compound Name1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
PubChem CID75520521
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide
SMILESCCOc1cccc(CN2CCC(C(N)=O)c3ccccc32)n1
InChIInChI=1S/C18H21N3O2/c1-2-23-17-9-5-6-13(20-17)12-21-11-10-15(18(19)22)14-7-3-4-8-16(14)21/h3-9,15H,2,10-12H2,1H3,(H2,19,22)
InChIKeyXNJZKUQUJZLYGG-UHFFFAOYSA-N
XLogP2.46
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(methylsulfonylmethyl)-1,3-thiazol-4-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 136552258
1-[(5-bromo-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 104800515
1-[(6-ethoxy-2-pyridinyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782108
1-[(6-ethoxy-2-pyridinyl)methyl]pyrrolidine-2,5-dione
CID 84600686
ethyl 1-[(6-methoxy-2-pyridinyl)methyl]piperidine-4-carboxylate
CID 63984544
1-(2-propoxyethyl)-3,4-dihydro-2H-quinoline-4-carboxylic acid
CID 106454791
ethyl (4S)-1-[[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl]-3,4-dihydro-2H-quinoline-4-carboxylate
CID 99788915
3-[[2-(6-ethoxy-2-pyridinyl)acetyl]amino]-N-ethylpyrrolidine-1-carboxamide
CID 136539579
methyl (4S)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]-3,4-dihydro-2H-quinoline-4-carboxylate
CID 97328134
1-[1-(6-ethoxy-2-pyridinyl)piperidin-4-yl]ethanone
CID 63845323
2-ethoxy-6-propylpyridine
CID 166041245
9-[(6-ethoxy-2-pyridinyl)methyl]-4-hydroxy-2,9-diazaspiro[5.5]undecan-1-one
CID 136563839

Frequently Asked Questions

What is the IUPAC name of 1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The IUPAC name of 1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide (CID 75520521) is 1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide.
What is the SMILES notation for 1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The canonical SMILES for 1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide is CCOc1cccc(CN2CCC(C(N)=O)c3ccccc32)n1.
What is the InChIKey of 1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
The InChIKey is XNJZKUQUJZLYGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-2-23-17-9-5-6-13(20-17)12-21-11-10-15(18(19)22)14-7-3-4-8-16(14)21/h3-9,15H,2,10-12H2,1H3,(H2,19,22).
What are the key properties of 1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide?
1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide has a molecular weight of 311.39 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-ethoxy-2-pyridinyl)methyl]-3,4-dihydro-2H-quinoline-4-carboxamide is sourced from PubChem (CID 75520521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).